1-[2-[cyclopropyl(methyl)amino]ethyl]-2-propylguanidine

C10H22N4 — CID 62980291

IUPAC1-[2-[cyclopropyl(methyl)amino]ethyl]-2-propylguanidine
SMILESCCC/N=C(\N)NCCN(C)C1CC1
InChIInChI=1S/C10H22N4/c1-3-6-12-10(11)13-7-8-14(2)9-4-5-9/h9H,3-8H2,1-2H3,(H3,11,12,13)
InChIKeyUNCXDJQJMSVTSE-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.39
Rot. Bonds6

About 1-[2-[cyclopropyl(methyl)amino]ethyl]-2-propylguanidine

1-[2-[cyclopropyl(methyl)amino]ethyl]-2-propylguanidine (PubChem CID 62980291) has the molecular formula C10H22N4 and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-[2-[cyclopropyl(methyl)amino]ethyl]-2-propylguanidine.

Molecular Properties

Compound Name1-[2-[cyclopropyl(methyl)amino]ethyl]-2-propylguanidine
PubChem CID62980291
Molecular FormulaC10H22N4
Molecular Weight198.31 g/mol
Exact Mass198.18
IUPAC Name1-[2-[cyclopropyl(methyl)amino]ethyl]-2-propylguanidine
SMILESCCC/N=C(\N)NCCN(C)C1CC1
InChIInChI=1S/C10H22N4/c1-3-6-12-10(11)13-7-8-14(2)9-4-5-9/h9H,3-8H2,1-2H3,(H3,11,12,13)
InChIKeyUNCXDJQJMSVTSE-UHFFFAOYSA-N
XLogP0.39
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-[2-[cyclopropyl(methyl)amino]ethyl]-2-propylguanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopropyl(methyl)amino]ethyl]-2-propylguanidine?
The IUPAC name of 1-[2-[cyclopropyl(methyl)amino]ethyl]-2-propylguanidine (CID 62980291) is 1-[2-[cyclopropyl(methyl)amino]ethyl]-2-propylguanidine.
What is the SMILES notation for 1-[2-[cyclopropyl(methyl)amino]ethyl]-2-propylguanidine?
The canonical SMILES for 1-[2-[cyclopropyl(methyl)amino]ethyl]-2-propylguanidine is CCC/N=C(\N)NCCN(C)C1CC1.
What is the InChIKey of 1-[2-[cyclopropyl(methyl)amino]ethyl]-2-propylguanidine?
The InChIKey is UNCXDJQJMSVTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4/c1-3-6-12-10(11)13-7-8-14(2)9-4-5-9/h9H,3-8H2,1-2H3,(H3,11,12,13).
What are the key properties of 1-[2-[cyclopropyl(methyl)amino]ethyl]-2-propylguanidine?
1-[2-[cyclopropyl(methyl)amino]ethyl]-2-propylguanidine has a molecular weight of 198.31 g/mol, XLogP of 0.39, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopropyl(methyl)amino]ethyl]-2-propylguanidine is sourced from PubChem (CID 62980291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).